CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2009, Vol. 26 ›› Issue (5): 767-772.

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Transversal Electronic Transport of Base Pairs with a Silver Ion

ZHANG Xia1,2, DONG Ruixin1, CUI Shouxin1, BAN Ge1, LI Ke1, HAN Hongwen1   

  1. 1. School of Physics Science and Information Engineering, Liaocheng University, Liaocheng 252059, China;
    2. No.4 Middle School of Linyi, Linyi 276000, China
  • Received:2008-04-24 Revised:2008-10-23 Online:2009-09-25 Published:2009-09-25

Abstract: Electronic transport of a two-probe system consisting of Au (111) electrodes and two base pairs sandwiched between Au (111) contacts is investigated with density functional theory combined with non-equilibrium Green's function method.It shows that conductance of base pairs is sensitive to distance between electrodes and oscillates.At a fixed gap between electrodes,transverse transport of base pairs under low bias is calculated and is compared with base pairs with a silver ion.It shows that conductive capability of G-C decreases and that of A-T increases as silver ions are combined with base pairs.

Key words: I-V characteristics, DNA base pair, non-equilibrium Green's function method

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